SCHEMBL29974831

SCHEMBL29974831

COc1cc(Nc2ncc(Br)c(Nc3cc(F)ccc3C3(O)CCC3)n2)c(C)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.52
▸ INSR P06213 5/20 0.47
▸ IGF1R P08069 5/20 0.47
▸ ALK Q9UM73 5/20 0.47
▸ PLK1 P53350 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29083977 1.00 EGFR (0.52) EGFRINSRIGF1RALKPLK1
SCHEMBL29084073 0.86 INSR (0.54) EGFRINSRIGF1RALKPLK1
SCHEMBL29084091 0.86 EGFR (0.53) EGFRINSRIGF1RALKPLK1
SCHEMBL29084051 0.85 EGFR (0.56) EGFRINSRIGF1RALKPLK1
SCHEMBL29084102 0.81 EGFR (0.55) EGFRINSRIGF1RALKPLK1
SCHEMBL29083952 0.80 PLK1 (0.52) EGFRPLK1
SCHEMBL29084086 0.80 EGFR (0.53) EGFRINSRIGF1RALKPLK1
SCHEMBL29083964 0.80 EGFR (0.53) EGFRINSRIGF1RALK
SCHEMBL29084066 0.80 EGFR (0.55) EGFRINSRIGF1RALKPLK1
SCHEMBL29083960 0.80 EGFR (0.55) EGFRINSRIGF1RALKPLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022206797-A1 EGFR INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2022-10-06 — — WO claimed
WO-2022206797-A1 EGFR INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2022-10-06 — — WO disclosed
Send feedback